SCHEMBL21409353

SCHEMBL21409353

COc1ccc(C(=O)N2CC3(CCNCC3)C2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ GABRD O14764 3/20 0.41
▸ GABRA1 P14867 3/20 0.41
▸ GABRB1 P18505 3/20 0.41
▸ GABRA5 P31644 3/20 0.41
▸ GABRA3 P34903 3/20 0.41
▸ GABRA2 P47869 3/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ GABRA4 P48169 3/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ CRBN Q96SW2 3/20 0.39
▸ MLKL Q8NB16 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL31138071 0.99 NR3C1 (0.41) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31255399 0.92 CYP3A4 (0.45) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30267496 0.92 GABRD (0.51) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL21408866 0.92 GABRD (0.51) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL24735010 0.89 NR3C1 (0.47) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL29841507 0.89 NR3C1 (0.47) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL29841613 0.88 NR3C1 (0.46) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23120739 0.85 GLA (0.39) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL25249471 0.85 CYP2D6 (0.39) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL30874160 0.85 ACACB (0.47) NR3C1PGRSLC6A4KCNH2PDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754858-A N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-10-11 — — CN disclosed
EP-4194457-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co., Ltd. (CN) 2023-06-14 — — EP disclosed
EP-3774804-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 — — EP disclosed
WO-2019186343-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 — — WO disclosed
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